CID 115865

Pyrophosphoric acid, dimethyl diisopropyl ester

Structural Information

Molecular Formula

C₈H₂₀O₇P₂

SMILES

CC(C)OP(=O)(OC)OP(=O)(OC)OC(C)C

InChI

InChI=1S/C8H20O7P2/c1-7(2)13-16(9,11-5)15-17(10,12-6)14-8(3)4/h7-8H,1-6H3

InChIKey

XQQHLZPRNJYEBV-UHFFFAOYSA-N

Compound name

[methoxy(propan-2-yloxy)phosphoryl] methyl propan-2-yl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 290.06842 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	291.075696	164.7
[M+Na]+	313.057638	170.6
[M-H]-	289.061144	169.3
[M+NH4]+	308.102243	178.2
[M+K]+	329.031578	173.8
[M+H-H2O]+	273.065680	155.6
[M+HCOO]-	335.066621	188.6
[M+CH3COO]-	349.082271	202.2
[M+Na-2H]-	311.043086	165.7
[M]+	290.06787142	170.8
[M]-	290.06896858	170.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe